Dock it, build it, simulate it, analyze it.
Run docking, molecular dynamics, DFT and trajectory analysis from your browser.
Where do you want to start?

Academy
Account neededLearn with cohort courses and hands-on GPU labs.
Browse courses
Dock
Dock protein–ligand, protein–protein or protein–peptide partners.
Open Dock
Build
Set up proteins, solvent, ions and ligands for MD.
Open Build
MD Compute
Access on requestRun MD simulations with guided setup and production.
Open Compute
DFT
Calculate geometry, energies and orbitals in the browser.
Open DFT
Analyze
Analyze trajectories with RMSD, RMSF, PCA and more.
Open Analyze
Viewer
Inspect structures and trajectories in 3D.
Open Viewer
Molecule Studio
Search, draw and analyze molecules by name or structure.
Open Molecule StudioDock
a pose
Build
the complex
MD Compute
the run
Analyze
the figures
Results move between tools on the server, so you never download and re-upload a file.
SimLab in numbers
107
Docking runs
1,739
Ligands docked
37
Pockets predicted
48
Systems built
9
DFT calculations
47
MD runs
166
Students enrolled
5
Cohorts